1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine

C14H19NO — CID 122214867

IUPAC1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine
SMILESCOc1ccc2c(c1)C[C@@H](N1CCCC1)C2
InChIInChI=1S/C14H19NO/c1-16-14-5-4-11-8-13(9-12(11)10-14)15-6-2-3-7-15/h4-5,10,13H,2-3,6-9H2,1H3/t13-/m0/s1
InChIKeyGTCJGDRIPJVMAN-ZDUSSCGKSA-N
MW217.31 g/mol
LogP2.26
Rot. Bonds2

About 1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine

1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine (PubChem CID 122214867) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine
PubChem CID122214867
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine
SMILESCOc1ccc2c(c1)C[C@@H](N1CCCC1)C2
InChIInChI=1S/C14H19NO/c1-16-14-5-4-11-8-13(9-12(11)10-14)15-6-2-3-7-15/h4-5,10,13H,2-3,6-9H2,1H3/t13-/m0/s1
InChIKeyGTCJGDRIPJVMAN-ZDUSSCGKSA-N
XLogP2.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The IUPAC name of 1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine (CID 122214867) is 1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The canonical SMILES for 1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine is COc1ccc2c(c1)C[C@@H](N1CCCC1)C2.
What is the InChIKey of 1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The InChIKey is GTCJGDRIPJVMAN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-14-5-4-11-8-13(9-12(11)10-14)15-6-2-3-7-15/h4-5,10,13H,2-3,6-9H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine has a molecular weight of 217.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidine is sourced from PubChem (CID 122214867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).